<html><body><div style="color:#000; background-color:#fff; font-family:verdana, helvetica, sans-serif;font-size:13px"><div id="yiv6930142868"><div id="yui_3_16_0_1_1443609827917_2996"><div id="yui_3_16_0_1_1443609827917_2995" style="color:#000;background-color:#fff;font-family:verdana, helvetica, sans-serif;font-size:13px;"><div id="yiv6930142868yui_3_16_0_1_1443608582009_3654"><span id="yiv6930142868yui_3_16_0_1_1443608582009_3658">Dear Fermin,</span></div><div id="yui_3_16_0_1_1443609827917_3010"><br clear="none"><span id="yiv6930142868yui_3_16_0_1_1443608582009_3658"></span></div><div id="yui_3_16_0_1_1443609827917_2998"><div id="yui_3_16_0_1_1443609827917_3397" dir="ltr"><span id="yiv6930142868yui_3_16_0_1_1443608582009_3658">I have faced similar problem before, I think you need to fiddle with one of these botton (XY Range, Set Tics, Set Grid) to select the range of bands that you think cross the Fermi energy. <br></span></div><div dir="ltr"><br><span id="yiv6930142868yui_3_16_0_1_1443608582009_3658"></span></div><div dir="ltr"><span id="yiv6930142868yui_3_16_0_1_1443608582009_3658">Regards<br></span></div></div><div id="yiv6930142868yui_3_16_0_1_1443608582009_3659"> </div><div class="yiv6930142868signature" id="yiv6930142868yui_3_16_0_1_1443608582009_3637"><div id="yiv6930142868yui_3_16_0_1_1443608582009_3662"><font id="yiv6930142868yui_3_16_0_1_1443608582009_3661" face="verdana, helvetica, sans-serif" size="3"><i id="yiv6930142868yui_3_16_0_1_1443608582009_3660">Lawal Mohammed</i></font></div><h4 id="yiv6930142868yui_3_16_0_1_1443608582009_3636"><br clear="none"></h4></div><br clear="none"> <div id="yiv6930142868yui_3_16_0_1_1443608582009_3616" style="font-family:verdana, helvetica, sans-serif;font-size:13px;"> <div id="yiv6930142868yui_3_16_0_1_1443608582009_3615" style="font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;"> <div class="qtdSeparateBR"><br><br></div><div class="yiv6930142868yqt7243260930" id="yiv6930142868yqt61603"><div dir="ltr" id="yiv6930142868yui_3_16_0_1_1443608582009_3618"> <hr size="1"> <font id="yiv6930142868yui_3_16_0_1_1443608582009_3622" face="Arial" size="2"> <b><span style="font-weight:bold;">From:</span></b> lung Fermin <ferminlung@gmail.com><br clear="none"> <b><span style="font-weight:bold;">To:</span></b> XCrySDen mailing list <xcrysden@democritos.it> <br clear="none"> <b><span style="font-weight:bold;">Sent:</span></b> Wednesday, September 30, 2015 10:07 AM<br clear="none"> <b><span style="font-weight:bold;">Subject:</span></b> [xcrysden] Difficulties in selecting the bands to render the Fermi surface in WIEN2k interface<br clear="none"> </font> </div> <div class="yiv6930142868y_msg_container" id="yiv6930142868yui_3_16_0_1_1443608582009_3614"><br clear="none"><div id="yiv6930142868"><div dir="ltr" id="yiv6930142868yui_3_16_0_1_1443608582009_3664">Dear Xcrysden community,<div id="yui_3_16_0_1_1443609827917_3152"><br clear="none"></div><div id="yiv6930142868yui_3_16_0_1_1443608582009_3663">I want to render the Fermi surface of a system containing a few hundreds of atoms. The case.output1 from WIEN2k gives 2813 bands. In the pop up window of "Select bands" in Xcrysden, the tick boxes of different band numbers are merely resolved and they appears like</div><div id="yui_3_16_0_1_1443609827917_3153">Band number: 2185</div><div>Band number: 1</div><div id="yui_3_16_0_1_1443609827917_3347">Band number: 2186</div><div>Band number: 2<br clear="none"></div><div id="yiv6930142868yui_3_16_0_1_1443608582009_3665">......</div><div id="yiv6930142868yui_3_16_0_1_1443608582009_3667">Band number:628</div><div id="yui_3_16_0_1_1443609827917_3490">Band number: 2813</div><div id="yiv6930142868yui_3_16_0_1_1443608582009_3670">and it terminates. The bands which cross the Fermi energy are those of band numbers 1XXX and I am not able to select them in this case. I tried to open Xcrysden with a different X window but the problem persists.</div><div id="yui_3_16_0_1_1443609827917_3485">Could someone please suggest me a way out?</div><div id="yui_3_16_0_1_1443609827917_3486"><br clear="none"></div><div id="yui_3_16_0_1_1443609827917_3487">Thanks in advance.</div><div><br clear="none"></div><div>Best,</div><div>Fermin</div></div></div><br clear="none">_______________________________________________<br clear="none">XCrySDen mailing list<br clear="none"><a rel="nofollow" shape="rect" ymailto="mailto:XCrySDen@democritos.it" target="_blank" href="mailto:XCrySDen@democritos.it">XCrySDen@democritos.it</a><br clear="none"><a rel="nofollow" shape="rect" target="_blank" href="http://www.democritos.it/mailman/listinfo/xcrysden">http://www.democritos.it/mailman/listinfo/xcrysden</a><br clear="none"><br clear="none"><br clear="none"></div></div> </div> </div> </div></div></div></div></body></html>